Structure of PDB 4bif Chain D Binding Site BS01

Receptor Information
>4bif Chain D (length=131) Species: 1198114 (Granulicella tundricola MP5ACTX9) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEIKRVGSQASGKGPADWFTGTVRIDPLFQAPDPALVAGASVTFEPGART
AWHTHPLGQTLIVTAGCGWAQREGGAVEEIHPGDVVWFSPGEKHWHGAAP
TTAMTHLAIQERLDGKAVDWMEHVTDEQYRR
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain4bif Chain D Residue 1132 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4bif Biochemical and Structural Characterisation of a Novel Bacterial Manganese-Dependent Hydroxynitrile Lyase.
Resolution2.46 Å
Binding residue
(original residue number in PDB)		H53 H55 Q59 H94 H96
Binding residue
(residue number reindexed from 1)		H53 H55 Q59 H94 H96
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.2.10: (R)-mandelonitrile lyase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4bif, PDBe:4bif, PDBj:4bif
PDBsum4bif
PubMed23981508
UniProtE8WYN5|MDL_GRATM (R)-mandelonitrile lyase (Gene Name=AciX9_0562)

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